N'-(2,6-dimethylphenyl)-N-(furan-2-ylmethyl)ethane-1,2-diamine

C15H20N2O — CID 54809780

IUPACN'-(2,6-dimethylphenyl)-N-(furan-2-ylmethyl)ethane-1,2-diamine
SMILESCc1cccc(C)c1NCCNCc1ccco1
InChIInChI=1S/C15H20N2O/c1-12-5-3-6-13(2)15(12)17-9-8-16-11-14-7-4-10-18-14/h3-7,10,16-17H,8-9,11H2,1-2H3
InChIKeyJBXFJXRSEQGRJO-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.10
Rot. Bonds6

About N'-(2,6-dimethylphenyl)-N-(furan-2-ylmethyl)ethane-1,2-diamine

N'-(2,6-dimethylphenyl)-N-(furan-2-ylmethyl)ethane-1,2-diamine (PubChem CID 54809780) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is N'-(2,6-dimethylphenyl)-N-(furan-2-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2,6-dimethylphenyl)-N-(furan-2-ylmethyl)ethane-1,2-diamine
PubChem CID54809780
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC NameN'-(2,6-dimethylphenyl)-N-(furan-2-ylmethyl)ethane-1,2-diamine
SMILESCc1cccc(C)c1NCCNCc1ccco1
InChIInChI=1S/C15H20N2O/c1-12-5-3-6-13(2)15(12)17-9-8-16-11-14-7-4-10-18-14/h3-7,10,16-17H,8-9,11H2,1-2H3
InChIKeyJBXFJXRSEQGRJO-UHFFFAOYSA-N
XLogP3.10
TPSA37.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-(2-ethyl-6-methylphenyl)-N-(furan-2-ylmethyl)ethane-1,2-diamine
CID 54809826
N-[(2,6-dimethylphenyl)methyl]-1-(furan-2-yl)methanamine
CID 81327593
N'-(5-chloro-2-methylphenyl)-N-(furan-2-ylmethyl)ethane-1,2-diamine
CID 54809868
N'-(3-chloro-2-methylphenyl)-N-(furan-2-ylmethyl)ethane-1,2-diamine
CID 54807793
N'-tert-butyl-N-(furan-2-ylmethyl)ethane-1,2-diamine
CID 54806819
N,N'-bis(furan-2-ylmethyl)pentane-1,5-diamine
CID 170781680
1-N-(furan-2-ylmethyl)-3-methylbutane-1,3-diamine
CID 64679315
N-(furan-2-ylmethyl)-2-(4-methylindol-1-yl)ethanamine
CID 62562532
N-(furan-2-ylmethyl)-4-(2-methylphenoxy)butan-1-amine
CID 16614204
N'-(2,6-dimethylphenyl)-N-propylethane-1,2-diamine
CID 54809643
2-fluoro-N-(furan-2-ylmethyl)-3-methylaniline
CID 115904329
N'-(4-ethoxyphenyl)-N-(furan-2-ylmethyl)ethane-1,2-diamine
CID 54805793

Frequently Asked Questions

What is the IUPAC name of N'-(2,6-dimethylphenyl)-N-(furan-2-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N'-(2,6-dimethylphenyl)-N-(furan-2-ylmethyl)ethane-1,2-diamine (CID 54809780) is N'-(2,6-dimethylphenyl)-N-(furan-2-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2,6-dimethylphenyl)-N-(furan-2-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N'-(2,6-dimethylphenyl)-N-(furan-2-ylmethyl)ethane-1,2-diamine is Cc1cccc(C)c1NCCNCc1ccco1.
What is the InChIKey of N'-(2,6-dimethylphenyl)-N-(furan-2-ylmethyl)ethane-1,2-diamine?
The InChIKey is JBXFJXRSEQGRJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-12-5-3-6-13(2)15(12)17-9-8-16-11-14-7-4-10-18-14/h3-7,10,16-17H,8-9,11H2,1-2H3.
What are the key properties of N'-(2,6-dimethylphenyl)-N-(furan-2-ylmethyl)ethane-1,2-diamine?
N'-(2,6-dimethylphenyl)-N-(furan-2-ylmethyl)ethane-1,2-diamine has a molecular weight of 244.34 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,6-dimethylphenyl)-N-(furan-2-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 54809780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).